Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| M-Xylene SCHEMBL28292894 | 0.89 | ACHE (0.67) | ACHEPARP1ALDH1A1TDP1LMNA | |
| SCHEMBL28876117 | 0.87 | ACHE (0.52) | ACHECASP1CYP3A4RECQLPARP1 | |
| M-Xylene SCHEMBL28075710 | 0.86 | ACHE (0.63) | ACHEPARP1ALDH1A1TDP1LMNA | |
| SCHEMBL11789 | 0.86 | — | — | |
| SCHEMBL29350699 | 0.86 | — | — | |
| SCHEMBL11735289 | 0.86 | ACHE (0.71) | ACHECASP1CYP3A4RECQLPARP1 | |
| Hydrochloric Acid SCHEMBL2477661 | 0.84 | — | — | |
| Methylamine SCHEMBL11826976 | 0.84 | ACHE (0.67) | ACHECASP1CYP3A4RECQLPARP1 | |
| Methane SCHEMBL6682100 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4376578 | 0.84 | ACHE (0.67) | ACHECASP1CYP3A4RECQLPARP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109928890-A | A kind of preparation method of tolvaptan intermediate 2- methyl -4-N- (2- toluyl) benzoic acid | 重庆常捷医药有限公司 | 2019-06-25 | — | — | CN | claimed |
| CN-105985259-B | Azobenzoic acid class compound and its preparation method and application | 中国科学院化学研究所 | 2018-07-27 | — | — | CN | disclosed |
| CN-107467031-A | A kind of red autumnal leaves amaranth is short to control agent and its application method | 长沙理工大学 | 2017-12-15 | — | — | CN | disclosed |